N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide

C25H21Cl2N7O2 — CID 19151677

IUPACN'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21Cl2N7O2/c26-17-11-12-18(19(27)13-17)24(35)33-31-22-21(28)23(30-14-29-22)32-34-25(36)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H,28H2,(H,33,35)(H,34,36)(H2,29,30,31,32)
InChIKeyWNJIQUQRBBDCSU-UHFFFAOYSA-N
MW522.40 g/mol
LogP4.40
Rot. Bonds8

About N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide

N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (PubChem CID 19151677) has the molecular formula C25H21Cl2N7O2 and a molecular weight of 522.40 g/mol. Its IUPAC name is N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.

Molecular Properties

Compound NameN'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
PubChem CID19151677
Molecular FormulaC25H21Cl2N7O2
Molecular Weight522.40 g/mol
Exact Mass521.11
IUPAC NameN'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
SMILESNc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21Cl2N7O2/c26-17-11-12-18(19(27)13-17)24(35)33-31-22-21(28)23(30-14-29-22)32-34-25(36)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H,28H2,(H,33,35)(H,34,36)(H2,29,30,31,32)
InChIKeyWNJIQUQRBBDCSU-UHFFFAOYSA-N
XLogP4.40
TPSA134.06 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.40
LogP ≤ 54.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide with MolForge

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Related Compounds

N'-[5-amino-6-(propan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135671
N'-[5-amino-6-(4-propan-2-ylanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19134693
N'-[5-amino-6-[benzyl(methyl)amino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22539627
N'-[5-amino-6-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 22545648
N'-[5-amino-6-(propylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19135477
N'-[5-amino-6-(2,3-dichloroanilino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19146878
N'-[5-amino-6-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151719
N'-[5-amino-6-(2-ethoxyanilino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151724
N'-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19139156
N'-[5-amino-6-(2,2-dimethylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19145603
N'-[5-amino-6-(2-tert-butylhydrazinyl)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152176
N'-[5-amino-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152184

Frequently Asked Questions

What is the IUPAC name of N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The IUPAC name of N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide (CID 19151677) is N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide.
What is the SMILES notation for N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The canonical SMILES for N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NNC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
The InChIKey is WNJIQUQRBBDCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N7O2/c26-17-11-12-18(19(27)13-17)24(35)33-31-22-21(28)23(30-14-29-22)32-34-25(36)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,20H,28H2,(H,33,35)(H,34,36)(H2,29,30,31,32).
What are the key properties of N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide?
N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide has a molecular weight of 522.40 g/mol, XLogP of 4.40, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-amino-6-[2-(2,2-diphenylacetyl)hydrazinyl]pyrimidin-4-yl]-2,4-dichlorobenzohydrazide is sourced from PubChem (CID 19151677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).